CID 27267

Brn 1600536

Structural Information

Molecular Formula
C23H28N2O
SMILES
CCC1(N2CC3(CN1CC(C2)(C3O)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI
InChI=1S/C23H28N2O/c1-3-21(2)24-14-22(18-10-6-4-7-11-18)15-25(21)17-23(16-24,20(22)26)19-12-8-5-9-13-19/h4-13,20,26H,3,14-17H2,1-2H3
InChIKey
AEJHEYQSQTYCAD-UHFFFAOYSA-N
Compound name
2-ethyl-2-methyl-5,7-diphenyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 185.4
[M+Na]+ 371.20937 189.3
[M-H]- 347.21287 183.0
[M+NH4]+ 366.25397 205.3
[M+K]+ 387.18331 182.6
[M+H-H2O]+ 331.21741 170.9
[M+HCOO]- 393.21835 187.9
[M+CH3COO]- 407.23400 191.1
[M+Na-2H]- 369.19482 194.7
[M]+ 348.21960 185.1
[M]- 348.22070 185.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.